4,5-dimethyl-5-nitrosohexan-2-one

C8H15NO2 — CID 13220972

IUPAC4,5-dimethyl-5-nitrosohexan-2-one
SMILESCC(=O)CC(C)C(C)(C)N=O
InChIInChI=1S/C8H15NO2/c1-6(5-7(2)10)8(3,4)9-11/h6H,5H2,1-4H3
InChIKeyRSSQPEYHVJUROH-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.15
Rot. Bonds4

About 4,5-dimethyl-5-nitrosohexan-2-one

4,5-dimethyl-5-nitrosohexan-2-one (PubChem CID 13220972) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4,5-dimethyl-5-nitrosohexan-2-one.

Molecular Properties

Compound Name4,5-dimethyl-5-nitrosohexan-2-one
PubChem CID13220972
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4,5-dimethyl-5-nitrosohexan-2-one
SMILESCC(=O)CC(C)C(C)(C)N=O
InChIInChI=1S/C8H15NO2/c1-6(5-7(2)10)8(3,4)9-11/h6H,5H2,1-4H3
InChIKeyRSSQPEYHVJUROH-UHFFFAOYSA-N
XLogP2.15
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethylbutan-2-one;4-methylpentan-2-one
CID 87718368
(2S)-2-methyl-4-oxopentanoic acid
CID 10942448
3-(propan-2-ylamino)hexane-2,5-dione
CID 178008293
(2S)-2-methyl-4-oxopentanoate
CID 51382637
4,6-dimethyl-5-nitrosoheptan-2-one
CID 137477288
4,7-dimethyloctan-2-one
CID 21437689
methanol;4-methylpentan-2-one;hydrate
CID 87964162
bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))
CID 158984879
4-methylpentan-2-one;propane
CID 22138072
4,7-dimethylnonan-2-one
CID 87291820
bis(1-hydroxypropan-2-one);4-methylpentan-2-one
CID 88828646
actinium;4-oxopentan-2-ylazanide
CID 20760022

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-5-nitrosohexan-2-one?
The IUPAC name of 4,5-dimethyl-5-nitrosohexan-2-one (CID 13220972) is 4,5-dimethyl-5-nitrosohexan-2-one.
What is the SMILES notation for 4,5-dimethyl-5-nitrosohexan-2-one?
The canonical SMILES for 4,5-dimethyl-5-nitrosohexan-2-one is CC(=O)CC(C)C(C)(C)N=O.
What is the InChIKey of 4,5-dimethyl-5-nitrosohexan-2-one?
The InChIKey is RSSQPEYHVJUROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(5-7(2)10)8(3,4)9-11/h6H,5H2,1-4H3.
What are the key properties of 4,5-dimethyl-5-nitrosohexan-2-one?
4,5-dimethyl-5-nitrosohexan-2-one has a molecular weight of 157.21 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-5-nitrosohexan-2-one is sourced from PubChem (CID 13220972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).